1-[4-[4-(Acetyloxy)phenyl]-3,4-dihydro-1(2H)-pyrazinyl]-ethanone - CAS 581806-58-8
Catalog: |
BB075413 |
Product Name: |
1-[4-[4-(Acetyloxy)phenyl]-3,4-dihydro-1(2H)-pyrazinyl]-ethanone |
CAS: |
581806-58-8 |
Synonyms: |
4-(4-Acetyl-3,4-dihydropyrazin-1(2H)-yl)phenyl acetate |
IUPAC Name: | [4-(4-acetyl-2,3-dihydropyrazin-1-yl)phenyl] acetate |
Molecular Weight: | 260.29 |
Molecular Formula: | C14H16N2O3 |
Canonical SMILES: | CC(=O)N1CCN(C=C1)C2=CC=C(C=C2)OC(=O)C |
InChI: | InChI=1S/C14H16N2O3/c1-11(17)15-7-9-16(10-8-15)13-3-5-14(6-4-13)19-12(2)18/h3-7,9H,8,10H2,1-2H3 |
InChI Key: | SOHQBFJBPXIDSI-UHFFFAOYSA-N |
Appearance: | Orange Solid |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.11609238 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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